Cas no 57527-85-2 (1H-Pyrazole, 5-(1-chloroethyl)-1,3-dimethyl-)
57527-85-2 structure
Product Name:1H-Pyrazole, 5-(1-chloroethyl)-1,3-dimethyl-
CAS No:57527-85-2
MF:C7H11ClN2
MW:158.628640413284
CID:947157
PubChem ID:45121408
Update Time:2025-04-19
1H-Pyrazole, 5-(1-chloroethyl)-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 5-(1-chloroethyl)-1,3-dimethyl-
- 57527-85-2
- 1H-Pyrazole, 5-(1-chloroethyl)-1,3-dimethyl-
- DB-323011
- 5-(1-Chloroethyl)-1,3-dimethyl-1H-pyrazole
-
- Inchi： 1S/C7H11ClN2/c1-5-4-7(6(2)8)10(3)9-5/h4,6H,1-3H3
- InChI Key： PAHYEQMXCDBXFL-UHFFFAOYSA-N
- SMILES： ClC(C)C1=CC(C)=NN1C
Computed Properties
- Exact Mass: 158.0610761g/mol
- Monoisotopic Mass: 158.0610761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 118
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 17.8?2
1H-Pyrazole, 5-(1-chloroethyl)-1,3-dimethyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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